Electrostatic Potential of Polyelectrolyte Molecules Grafted on Charged Surfaces: A Poisson-Boltzmann Model

2014 ◽  
Vol 161 (8) ◽  
pp. E3049-E3058 ◽  
Author(s):  
Y. Rakita ◽  
D. Golodnitsky ◽  
A. Natan
Keyword(s):  
Electrostatic Potential ◽  
Charged Surfaces ◽  
Poisson Boltzmann ◽  
Boltzmann Model

scholarly journals On the Role of Electrostatic Repulsion in Topological Defect-Driven Membrane Fission

Membranes ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 812
Author(s):  
Ekaterina Gongadze ◽  
Luka Mesarec ◽  
Samo Kralj ◽  
Veronika Kralj-Iglič ◽  
Aleš Iglič
Keyword(s):  
Osmotic Pressure ◽  
Electric Fields ◽  
Double Layers ◽  
Parent Cell ◽  
Charged Surfaces ◽  
Membrane Fission ◽  
Membrane Protrusions ◽  
Electric Potentials ◽  
Poisson Boltzmann ◽  
Boltzmann Model

Within a modified Langevin Poisson–Boltzmann model of electric double layers, we derived an analytical expression for osmotic pressure between two charged surfaces. The orientational ordering of the water dipoles as well as the space dependencies of electric potentials, electric fields, and osmotic pressure between two charged spheres were taken into account in the model. Thus, we were able to capture the interaction between the parent cell and connected daughter vesicle or the interactions between neighbouring beads in necklace-like membrane protrusions. The predicted repulsion between them can facilitate the topological antidefect-driven fission of membrane daughter vesicles and the fission of beads of undulated membrane protrusions.

scholarly journals The crystallization enthalpy and entropy of protein solutions: microcalorimetry, van't Hoff determination and linearized Poisson–Boltzmann model of tetragonal lysozyme crystals

2021 ◽  
Vol 23 (4) ◽  
pp. 2686-2696
Author(s):  
Lorena Hentschel ◽  
Jan Hansen ◽  
Stefan U. Egelhaaf ◽  
Florian Platten
Keyword(s):  
Theoretical Description ◽  
Protein Solutions ◽  
Consistent Picture ◽  
Poisson Boltzmann ◽  
Enthalpy And Entropy ◽  
Boltzmann Model ◽  
Lysozyme Crystals ◽  
Solution Parameters

Microcalorimetric and van't Hoff determinations as well as a theoretical description provide a consistent picture of the crystallization enthalpy and entropy of protein solutions and their dependence on physicochemical solution parameters.

Poisson-Boltzmann model in a solvent of interacting Langevin dipoles

2009 ◽  
Vol 88 (1) ◽  
pp. 14003 ◽  
Author(s):  
D. H. Mengistu ◽  
K. Bohinc ◽  
S. May
Keyword(s):  
Poisson Boltzmann ◽  
Langevin Dipoles ◽  
Boltzmann Model

Ionic Layering and Overcharging in Electrical Double Layers in a Poisson-Boltzmann Model

2020 ◽  
Vol 125 (18) ◽  
Author(s):  
Ankur Gupta ◽  
Ananth Govind Rajan ◽  
Emily A. Carter ◽  
Howard A. Stone
Keyword(s):  
Double Layers ◽  
Electrical Double Layers ◽  
Poisson Boltzmann ◽  
Boltzmann Model ◽  
Ionic Layering

scholarly journals Mathematical and Numerical Aspects of the Adaptive Fast Multipole Poisson-Boltzmann Solver

2013 ◽  
Vol 13 (1) ◽  
pp. 107-128 ◽  
Author(s):  
Bo Zhang ◽  
Benzhuo Lu ◽  
Xiaolin Cheng ◽  
Jingfang Huang ◽  
Nikos P. Pitsianis ◽  
...  
Keyword(s):  
Large Scale ◽  
Boundary Integral ◽  
Fast Multipole ◽  
Fast Multipole Methods ◽  
Long Time ◽  
Poisson Boltzmann ◽  
Multipole Methods ◽  
Surface Mesh Generation ◽  
Dynamics Simulations ◽  
Boltzmann Model

AbstractThis paper summarizes the mathematical and numerical theories and computational elements of the adaptive fast multipole Poisson-Boltzmann (AFMPB) solver. We introduce and discuss the following components in order: the Poisson-Boltzmann model, boundary integral equation reformulation, surface mesh generation, the nodepatch discretization approach, Krylov iterative methods, the new version of fast multipole methods (FMMs), and a dynamic prioritization technique for scheduling parallel operations. For each component, we also remark on feasible approaches for further improvements in efficiency, accuracy and applicability of the AFMPB solver to large-scale long-time molecular dynamics simulations. The potential of the solver is demonstrated with preliminary numerical results.

The effect of undulations on the electrostatic potential in a polyelectrolyte system

1994 ◽  
Vol 348 (1687) ◽  
pp. 209-228 ◽  
Keyword(s):  
Boundary Condition ◽  
Integral Equation ◽  
Electrostatic Potential ◽  
Perturbation Technique ◽  
Cylindrical Symmetry ◽  
Potential Applications ◽  
Poisson Boltzmann ◽  
Poisson Boltzmann Equation ◽  
The Green Function ◽  
Constant Charge

I consider the effect of macromolecular undulation on the electrostatic potential around a rod-like molecule. This effort is set to demonstrate the use of a particular perturbation technique through application to a geometrical system of general colloidal interest. The Poisson—Boltzmann equation together with a constant charge boundary condition on the well defined surface of an undulating cylinder is reformulated in integral equation form by use of Green’s theorem. A perturbation solution appropriate to the deformed boundary can be extracted when the Green function is approximated by that relevant to a reference, undeformed cylinder. Numerical results demonstrate that undulation causes significant deviations (increases) in electrochemical properties from expected behaviour, assuming rigid cylindrical symmetry. By considering the total free energy of the system it is found that electrostatics tend to diminish the extent of the undulations. The predicted deviations are briefly discussed in light of measured intermolecular electrostatic forces acting in a condensed phase of close-packed DNA. The perturbation technique has potential applications to mathematically similar problems occurring in hydrodynamics.

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